ChemSpider 2D Image | Methyl 5-({[2-(4-methoxyphenoxy)ethyl]sulfinyl}methyl)-2-furoate | C16H18O6S

Methyl 5-({[2-(4-methoxyphenoxy)ethyl]sulfinyl}methyl)-2-furoate

  • Molecular FormulaC16H18O6S
  • Average mass338.375 Da
  • Monoisotopic mass338.082397 Da
  • ChemSpider ID60165293

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Furancarboxylic acid, 5-[[[2-(4-methoxyphenoxy)ethyl]sulfinyl]methyl]-, methyl ester [ACD/Index Name]
5-({[2-(4-Méthoxyphénoxy)éthyl]sulfinyl}méthyl)-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({[2-(4-methoxyphenoxy)ethyl]sulfinyl}methyl)-2-furoate [ACD/IUPAC Name]
Methyl-5-({[2-(4-methoxyphenoxy)ethyl]sulfinyl}methyl)-2-furoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 554.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 289.1±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.87
ACD/KOC (pH 5.5): 204.56
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.87
ACD/KOC (pH 7.4): 204.56
Polar Surface Area: 94 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 261.3±3.0 cm3

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